1.02010-04-08 22:09:30 UTC2015-07-20 22:38:27 UTCFDB0111572-(Methylthio)pyrazineFlavouring ingredient(methylthio)-Pyrazine2-(Methylsulfanyl)pyrazine2-(Methylthio)pyrazine2-Methylsulphanyl-pyrazineFEMA 3231Methylthio pyrazinePyrazine, (methylthio)-Pyrazinyl methyl sulfideC5H6N2S126.18126.0251688922-(methylsulfanyl)pyrazine2-methylthiopyrazine21948-70-9CSC1=CN=CC=N1InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3KBPBOWBQRUXMFV-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.Aryl thioethersOrganic compoundsOrganosulfur compoundsThioethersAryl thioethersAromatic heteromonocyclic compoundsAlkylarylthioethersAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganopnictogen compoundsPyrazinesSulfenyl compoundsAlkylarylthioetherAromatic heteromonocyclic compoundAryl thioetherAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganopnictogen compoundPyrazineSulfenyl compoundlogp0.99logs-0.57solubility3.42e+01 g/lmelting_pointMp 44-47°logp0.76pka_strongest_basic0.18iupac2-(methylsulfanyl)pyrazineaverage_mass126.18mono_mass126.025168892smilesCSC1=CN=CC=N1formulaC5H6N2SinchiInChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3inchikeyKBPBOWBQRUXMFV-UHFFFAOYSA-Npolar_surface_area25.78refractivity34.82polarizability12.66rotatable_bond_count1acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsIr5996Specdb::MsIr5997Specdb::MsMs51837Specdb::MsMs51838Specdb::MsMs51839Specdb::MsMs163347Specdb::MsMs163348Specdb::MsMs163349Specdb::MsMs2705912Specdb::MsMs2705913Specdb::MsMs2705914Specdb::MsMs2999080Specdb::MsMs2999081Specdb::MsMs2999082Specdb::CMs18484Specdb::CMs165122Specdb::NmrOneD118378Specdb::NmrOneD118379Specdb::NmrOneD118380Specdb::NmrOneD118381Specdb::NmrOneD118382Specdb::NmrOneD118383Specdb::NmrOneD118384Specdb::NmrOneD118385Specdb::NmrOneD118386Specdb::NmrOneD118387Specdb::NmrOneD118388Specdb::NmrOneD118389Specdb::NmrOneD118390Specdb::NmrOneD118391Specdb::NmrOneD118392Specdb::NmrOneD118393Specdb::NmrOneD118394Specdb::NmrOneD118395Specdb::NmrOneD118396Specdb::NmrOneD118397HMDB33152#<Reference:0x000055567643ac48>chipcornethernuttysulfurous